(R)-N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclopropylmethyl]-2-methylpropane-2-sulfinamide

C19H25ClN4OS — CID 118204288

IUPAC(R)-N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclopropylmethyl]-2-methylpropane-2-sulfinamide
SMILESCc1ccc(Nc2ncc([C@H](N[S@](=O)C(C)(C)C)C3CC3)cc2Cl)cn1
InChIInChI=1S/C19H25ClN4OS/c1-12-5-8-15(11-21-12)23-18-16(20)9-14(10-22-18)17(13-6-7-13)24-26(25)19(2,3)4/h5,8-11,13,17,24H,6-7H2,1-4H3,(H,22,23)/t17-,26-/m1/s1
InChIKeyWFIYWYHJHJHYKD-WGDIFIGCSA-N
MW392.96 g/mol
LogP4.68
Rot. Bonds6

About (R)-N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclopropylmethyl]-2-methylpropane-2-sulfinamide

(R)-N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclopropylmethyl]-2-methylpropane-2-sulfinamide (PubChem CID 118204288) has the molecular formula C19H25ClN4OS and a molecular weight of 392.96 g/mol. Its IUPAC name is (R)-N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclopropylmethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclopropylmethyl]-2-methylpropane-2-sulfinamide
PubChem CID118204288
Molecular FormulaC19H25ClN4OS
Molecular Weight392.96 g/mol
Exact Mass392.14
IUPAC Name(R)-N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclopropylmethyl]-2-methylpropane-2-sulfinamide
SMILESCc1ccc(Nc2ncc([C@H](N[S@](=O)C(C)(C)C)C3CC3)cc2Cl)cn1
InChIInChI=1S/C19H25ClN4OS/c1-12-5-8-15(11-21-12)23-18-16(20)9-14(10-22-18)17(13-6-7-13)24-26(25)19(2,3)4/h5,8-11,13,17,24H,6-7H2,1-4H3,(H,22,23)/t17-,26-/m1/s1
InChIKeyWFIYWYHJHJHYKD-WGDIFIGCSA-N
XLogP4.68
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.96
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (R)-N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclopropylmethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclopropylmethyl]-2-methylpropane-2-sulfinamide (CID 118204288) is (R)-N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclopropylmethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclopropylmethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclopropylmethyl]-2-methylpropane-2-sulfinamide is Cc1ccc(Nc2ncc([C@H](N[S@](=O)C(C)(C)C)C3CC3)cc2Cl)cn1.
What is the InChIKey of (R)-N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclopropylmethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is WFIYWYHJHJHYKD-WGDIFIGCSA-N. The full InChI is InChI=1S/C19H25ClN4OS/c1-12-5-8-15(11-21-12)23-18-16(20)9-14(10-22-18)17(13-6-7-13)24-26(25)19(2,3)4/h5,8-11,13,17,24H,6-7H2,1-4H3,(H,22,23)/t17-,26-/m1/s1.
What are the key properties of (R)-N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclopropylmethyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclopropylmethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 392.96 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclopropylmethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 118204288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).